Molecule

ID:109450

General Information
Structure
MolImage
Molecular Formula
C₄H₈Cl₂
Molecular Mass
127.01232
Exact Mass
126.00030562
Charge
0
InChI
InChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3
InChIKey
QBGVARBIQGHVKR-UHFFFAOYSA-N
Canonic Smiles
ClCCC(Cl)C
Isomeric Smiles
CC(Cl)CCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.9770393
LogD (pH = 7.4)
1.9770393
Log P
1.9770393
Molar Refractivity
29.9398
Polarizability
11.793609
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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